HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 58062Erstellt: 25. Oktober 2026
Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate → HCID 89782950, Verbindung
https://huagongshe.com/reaction/58062
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|
| Edukt | Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate | HCID 2778421 | — |
| Edukt | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indazole | HCID 89782806 | — |
| Katalysator | Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+) | HCID 178418228 | — |
| Lösungsmittel | 1,4-Dioxane | HCID 31275 | — |
| Lösungsmittel | Sodium Bicarbonate | HCID 516892 | — |
| Produkt | HCID 89782950 | HCID 89782950 | — |
Reaktionsschritte
To a microwave vial were added a mixture of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indazole (0.3 g, 0.961 mmol), ethyl 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate (0.351 g, 1.346 mmol) and PdCl2(dppf) (0.035 g, 0.048 mmol) in dioxane (10 mL) and aqueous saturated NaHCO3 (3 mL). The resulting light yellow suspension was heated at 140° C. for 45 minutes in a microwave reactor. The reaction mixture was subsequently concentrated and the residue was purified by preparative HPLC, eluting with a gradient of 40-50% acetonitrile (containing 0.035% TFA) in H2O (containing 0.05% TFA) over a period of 6 minutes. Two products were separated. The product-containing fractions were combined and the volatiles removed in vacuo to give the title compound as the major product. ESI-MS m/z [M+H]+ calc'd for C15H13F3N4O2, 339.1. found 339.2.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patentnummer | US09434743B2 |
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| Quelldatensatz | uspto-grants-2016_09 |
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| ORD ID | ord-5d56eb2d5b1e4865a9cb133cdba80470 |
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| Quellennotiz | uspto-grants-2016_09 |
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